1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea

C17H15F2N3O2 — CID 3415037

IUPAC1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea
SMILESCC(=O)N1CCc2cccc(NC(=O)Nc3ccc(F)cc3F)c21
InChIInChI=1S/C17H15F2N3O2/c1-10(23)22-8-7-11-3-2-4-15(16(11)22)21-17(24)20-14-6-5-12(18)9-13(14)19/h2-6,9H,7-8H2,1H3,(H2,20,21,24)
InChIKeyRTOZFUZWMGRJBZ-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.52
Rot. Bonds2

About 1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea

1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 3415037) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea
PubChem CID3415037
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea
SMILESCC(=O)N1CCc2cccc(NC(=O)Nc3ccc(F)cc3F)c21
InChIInChI=1S/C17H15F2N3O2/c1-10(23)22-8-7-11-3-2-4-15(16(11)22)21-17(24)20-14-6-5-12(18)9-13(14)19/h2-6,9H,7-8H2,1H3,(H2,20,21,24)
InChIKeyRTOZFUZWMGRJBZ-UHFFFAOYSA-N
XLogP3.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152
1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 119042698
3-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961299
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(3-methoxyphenyl)acetamide
CID 112537141
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 166234118
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide
CID 112537116
1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108910070
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-[3-tert-butyl-1-[1-(2,2,2-trifluoroacetyl)-2,3-dihydroindol-5-yl]pyrazol-5-yl]-3-(2,4-difluorophenyl)urea
CID 87332911
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea (CID 3415037) is 1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea is CC(=O)N1CCc2cccc(NC(=O)Nc3ccc(F)cc3F)c21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is RTOZFUZWMGRJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-10(23)22-8-7-11-3-2-4-15(16(11)22)21-17(24)20-14-6-5-12(18)9-13(14)19/h2-6,9H,7-8H2,1H3,(H2,20,21,24).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea?
1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 331.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 3415037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).